3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea

Systemtic Name: 3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Openeye Name: 3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea CAS Name: 3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-1-methyl-1-(1-methyl-4-piperidin-1-iumyl)urea IUPAC Name: 3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Traditional Name: 3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)N[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H28N4O4/c1-22-7-5-15(6-8-22)23(2)20(26)21-14-11-19(25)24(13-14)16-3-4-17-18(12-16)28-10-9-27-17/h3-4,12,14-15H,5-11,13H2,1-2H3,(H,21,26)/p+1/t14-/m0/s1